This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 028588-75-2
SMILES : o(c(c(SSc(cco1)c1C)c2)C)c2
CHEM : Furan, 3,3'-dithiobis 2-methyl-
MOL FOR: C10 H10 O2 S2
MOL WT : 226.31
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 317.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 92.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000166 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0221 (Modified Grain method)
Subcooled liquid VP: 0.000749 mm Hg (25 deg C, Mod-Grain method)
: 0.0999 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 9.269
log Kow used: 4.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 11.708 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.88E-005 atm-m3/mole (5.95E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.333E-006 atm-m3/mole (5.404E-001 Pa-m3/mole)
VP: 0.000166 mm Hg (source: MPBPVP)
WS: 9.27 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.14 (KowWin est)
Log Kaw used: -2.619 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.759
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7491
Biowin2 (Non-Linear Model) : 0.7210
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5494 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3842 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1547
Biowin6 (MITI Non-Linear Model): 0.0515
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2892
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0999 Pa (0.000749 mm Hg)
Log Koa (Koawin est ): 6.759
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3E-005
Octanol/air (Koa) model: 1.41E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00108
Mackay model : 0.0024
Octanol/air (Koa) model: 0.000113
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 425.2720 E-12 cm3/molecule-sec
Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 18.109 Min
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00174 (Junge-Pankow, Mackay avg)
0.000113 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.347E+004 L/kg (MCI method)
Log Koc: 4.129 (MCI method)
Koc : 3915 L/kg (Kow method)
Log Koc: 3.593 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.059 (BCF = 11.45 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3116 days (HL = 0.4879 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.258 (BCF = 181.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.258 (BAF = 181.2)
log Kow used: 4.14 (estimated)
Volatilization from Water:
Henry LC: 5.88E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 16.51 hours
Half-Life from Model Lake : 306.3 hours (12.76 days)
Removal In Wastewater Treatment:
Total removal: 38.33 percent
Total biodegradation: 0.37 percent
Total sludge adsorption: 36.07 percent
Total to Air: 1.89 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0311 0.604 1000
Water 12.8 900 1000
Soil 77.1 1.8e+003 1000
Sediment 10 8.1e+003 0
Persistence Time: 1.12e+003 hr